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870190-40-2 | Glycine, L-lysyl-L-valyl-L-leucylglycyl-L-seryl-
CAS No: 870190-40-2 Catalog No: AG004NQZ MDL No:
Product Description
Catalog Number:
AG004NQZ
Chemical Name:
Glycine, L-lysyl-L-valyl-L-leucylglycyl-L-seryl-
CAS Number:
870190-40-2
Molecular Formula:
C24H45N7O8
Molecular Weight:
559.6562
IUPAC Name:
2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid
InChI:
InChI=1S/C24H45N7O8/c1-13(2)9-16(22(37)27-10-18(33)29-17(12-32)23(38)28-11-19(34)35)30-24(39)20(14(3)4)31-21(36)15(26)7-5-6-8-25/h13-17,20,32H,5-12,25-26H2,1-4H3,(H,27,37)(H,28,38)(H,29,33)(H,30,39)(H,31,36)(H,34,35)/t15-,16-,17-,20-/m0/s1
InChI Key:
XTTIUOISPWZZRY-BOSXTWCSSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)O)CO)CC(C)C)C(C)C)N
Properties
Complexity:
837
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
559.333g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
559.665g/mol
Monoisotopic Mass:
559.333g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
255A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.1
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